pChEMBL or pIC50 Prediction with QSAR Machine Learning

pIC50 prediction of a small molecule over a number of protein targets, are based on the QSAR with Machine Learning models built on RDK fingerprints and activity dataset available from CHEMBL, check my Acknowledgements for a list of software/libray used in building this application.



Status: None

Protein Target pIC50 ∑ Dataset R2test Target Report Card Drug/Clininal Candidates